6O2Z
Crystal structure of IDH1 R132H mutant in complex with compound 32
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X29A |
| Synchrotron site | NSLS |
| Beamline | X29A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-04-04 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.0750 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 82.344, 82.344, 303.740 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.250 - 2.500 |
| R-factor | 0.17511 |
| Rwork | 0.172 |
| R-free | 0.23356 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.537 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.590 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.607 | |
| Number of reflections | 37491 | |
| <I/σ(I)> | 16.3 | |
| Completeness [%] | 97.0 | |
| Redundancy | 8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 1.8 M Tri-ammonium citrate pH 6.5 |
